All Stories

  1. Capturing single-molecule properties does not ensure accurate prediction of biomolecular phase diagrams

    Article • October 2024, Cold Spring Harbor Laboratory Press

    Professor Antonio Rey

  2. A Note on the Effects of Linear Topology Preservation in Monte Carlo Simulations of Knotted Proteins

    Article • International Journal of Molecular Sciences, November 2022, MDPI AG

    Professor Antonio Rey

  3. Behavior of Proteins under Pressure from Experimental Pressure-Dependent Structures

    Article • The Journal of Physical Chemistry B, June 2021, American Chemical Society (ACS)

    Professor Antonio Rey

  4. Self-Consistent Mean Field Calculations of Polyelectrolyte-Surfactant Mixtures in Solution and upon Adsorption onto Negatively Charged Surfaces

    Article • Polymers, March 2020, MDPI AG

    Dr Gustavo S Luengo, Professor Antonio Rey

  5. Design of a structure-based model for protein folding from flexible conformations

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Professor Antonio Rey

  6. Hydrophobic confinement modulates thermal stability and assists knotting in the folding of tangled proteins

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Professor Antonio Rey

  7. Steric confinement and enhanced local flexibility assist knotting in simple models of protein folding

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Professor Antonio Rey

  8. How determinant is N-terminal to C-terminal coupling for protein folding?

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Patricia FN Faisca, Professor Antonio Rey

  9. Intermediates in the folding equilibrium of repeat proteins from the TPR family

    Article • European Biophysics Journal, July 2014, Springer Science + Business Media

    Professor Antonio Rey

  10. Design of a Rotamer Library for Coarse-Grained Models in Protein-Folding Simulations

    Article • Journal of Chemical Information and Modeling, January 2014, American Chemical Society (ACS)

    Professor Antonio Rey

  11. Sketching protein aggregation with a physics-based toy model

    Article • The Journal of Chemical Physics, September 2013, American Institute of Physics

    Professor Antonio Rey

  12. Simulating protein unfolding under pressure with a coarse-grained model

    Article • The Journal of Chemical Physics, November 2012, American Institute of Physics

    Professor Antonio Rey

  13. Simple model for the simulation of peptide folding and aggregation with different sequences

    Article • The Journal of Chemical Physics, June 2012, American Institute of Physics

    Professor Antonio Rey

  14. Why Do Protein Folding Rates Correlate with Metrics of Native Topology?

    Article • PLOS One, April 2012, PLOS

    Professor Antonio Rey

  15. Improvement of Structure-Based Potentials for Protein Folding by Native and Nonnative Hydrogen Bonds

    Article • Biophysical Journal, September 2011, Elsevier

    Professor Antonio Rey

  16. The protein folding transition state: Insights from kinetics and thermodynamics

    Article • The Journal of Chemical Physics, September 2010, American Institute of Physics

    Professor Antonio Rey

  17. A refined hydrogen bond potential for flexible protein models

    Article • The Journal of Chemical Physics, June 2010, American Institute of Physics

    Professor Antonio Rey

  18. A simple simulation model can reproduce the thermodynamic folding intermediate of apoflavodoxin

    Article • Proteins Structure Function and Bioinformatics, July 2009, Wiley

    Professor Antonio Rey

  19. Topology-based models and NMR structures in protein folding simulations

    Article • Journal of Computational Chemistry, June 2009, Wiley

    Professor Antonio Rey

  20. Topology-based potentials and the study of the competition between protein folding and aggregation

    Article • The Journal of Chemical Physics, March 2009, American Institute of Physics

    Professor Antonio Rey

  21. Simulations of the protein folding process using topology-based models depend on the experimental structure

    Article • The Journal of Chemical Physics, September 2008, American Institute of Physics

    Professor Antonio Rey

  22. Energy minimizations with a combination of two knowledge-based potentials for protein folding

    Article • Journal of Computational Chemistry, March 2008, Wiley

    Professor Antonio Rey

  23. Influence of the native topology on the folding barrier for small proteins

    Article • The Journal of Chemical Physics, November 2007, American Institute of Physics

    Professor Antonio Rey

  24. Influence of the chain stiffness on the thermodynamics of a Gō-type model for protein folding

    Article • The Journal of Chemical Physics, April 2007, American Institute of Physics

    Professor Antonio Rey

  25. Evaluation of coarse grained models for hydrogen bonds in proteins

    Article • Journal of Computational Chemistry, January 2007, Wiley

    Professor Antonio Rey

  26. Evaluation of a mean field potential for protein folding with different interaction centers

    Article • Physica A Statistical Mechanics and its Applications, November 2006, Elsevier

    Professor Antonio Rey

  27. Assessment of protein folding potentials with an evolutionary method

    Article • The Journal of Chemical Physics, July 2006, American Institute of Physics

    Professor Antonio Rey

  28. Thermodynamics of Gō-type models for protein folding

    Article • The Journal of Chemical Physics, October 2005, American Institute of Physics

    Professor Antonio Rey

  29. Evolutionary method for the assembly of rigid protein fragments

    Article • Journal of Computational Chemistry, January 2004, Wiley

    Professor Antonio Rey

  30. Influence of the Helical Backbone in the Behavior of a Simple Model for Dimeric Coiled-Coil Proteins

    Article • Macromolecular Theory and Simulations, December 2003, Wiley

    Professor Antonio Rey

  31. Influence of the hydrophobic face width on the degree of association of coiled–coil proteins

    Article • The Journal of Chemical Physics, December 2002, American Institute of Physics

    Professor Antonio Rey

  32. Estructura de proteínas: plegamiento y priones

    Article • Enfermedades Infecciosas y Microbiología Clínica, January 2002, Elsevier

    Professor Antonio Rey

  33. Thermodynamic aspects in a simplified model for the folding of two-stranded coiled-coils

    Article • The Journal of Chemical Physics, December 2000, American Institute of Physics

    Professor Antonio Rey

  34. Peptide length dependence of a simplified model for the folding of regular two-stranded coiled-coils

    Article • Macromolecular Theory and Simulations, November 2000, Wiley

    Professor Antonio Rey

  35. Simplified model for the analysis of interaction types in two-stranded coiled-coils

    Article • The Journal of Chemical Physics, August 1999, American Institute of Physics

    Professor Antonio Rey

  36. Relaxation of flexible chains in dilute and non-dilute systems. Dynamic Monte Carlo results for linear and star chains

    Article • Macromolecular Theory and Simulations, July 1999, Wiley

    Professor Antonio Rey

  37. Intramolecular Reaction Rates of Flexible Polymers. 2. Comparison with the Renormalization Group Theory

    Article • Macromolecules, November 1998, American Chemical Society (ACS)

    Professor Antonio Rey

  38. Intramolecular Reaction Rates of Flexible Polymers. 1. Simulation Results and the Classical Theory

    Article • Macromolecules, November 1998, American Chemical Society (ACS)

    Professor Antonio Rey

  39. Conformational properties of flexible polymer chains in highly confined environments

    Article • The Journal of Chemical Physics, April 1997, American Institute of Physics

    Professor Antonio Rey

  40. Numerical simulation of the scattering form factor of star polymers

    Article • Computational and Theoretical Polymer Science, January 1997, Elsevier

    Professor Antonio Rey

  41. On the use of the gaussian chain as a monte carlo simulation model for the equilibrium properties of polymer solutions

    Article • Macromolecular Theory and Simulations, January 1997, Wiley

    Professor Antonio Rey

  42. Dynamics of chains in excluded volume conditions: Frequency‐dependent viscosity of regular star chains

    Article • The Journal of Chemical Physics, January 1996, American Institute of Physics

    Professor Antonio Rey

  43. Conformation of A 2 B and A 3 B Miktoarm Star Copolymers in Dilute Solutions

    Article • Macromolecules, January 1996, American Chemical Society (ACS)

    Professor Antonio Rey

  44. Frequency‐dependent viscosity of linear polymer chains. Influence of non‐Gaussian effects

    Article • The Journal of Chemical Physics, May 1995, American Institute of Physics

    Professor Antonio Rey

  45. Dynamic scattering function for diblock copolymer chains in dilute solutions

    Article • The Journal of Chemical Physics, August 1994, American Institute of Physics

    Professor Antonio Rey

  46. Dynamic‐mechanical and light scattering study of the glass transition of poly(vinylacetate) and a poly(vinylacetate) +poly(4‐hydroxystyrene) blend

    Article • The Journal of Chemical Physics, February 1994, American Institute of Physics

    Dr Gustavo S Luengo, Professor Antonio Rey

  47. Computer simulation of the folding of coiled coils

    Article • The Journal of Chemical Physics, February 1994, American Institute of Physics

    Professor Antonio Rey

  48. A method for predicting protein structure from sequence

    Article • Current Biology, July 1993, Elsevier

    Professor Antonio Rey

  49. Computer modeling and folding of four-helix bundles

    Article • Proteins Structure Function and Bioinformatics, May 1993, Wiley

    Professor Antonio Rey

  50. Effect of double bonds on the dynamics of hydrocarbon chains

    Article • The Journal of Chemical Physics, July 1992, American Institute of Physics

    Professor Antonio Rey

  51. Radius of gyration and viscosity of linear and star polymers in different regimes

    Article • Macromolecules, July 1992, American Chemical Society (ACS)

    Professor Antonio Rey

  52. Monte Carlo simulation of the dynamics and quasielastic scattering in many-chain polymer systems

    Article • Macromolecules, June 1992, American Chemical Society (ACS)

    Professor Antonio Rey

  53. Efficient algorithm for the reconstruction of a protein backbone from the ?-carbon coordinates

    Article • Journal of Computational Chemistry, May 1992, Wiley

    Professor Antonio Rey

  54. Brownian dynamics simulation of flexible polymer chains with excluded volume and hydrodynamic interactions. A comparison with Monte Carlo and theoretical results

    Article • Polymer, January 1992, Elsevier

    Professor Antonio Rey

  55. Comparison of lattice Monte Carlo dynamics and Brownian dynamics folding pathways of α-helical hairpins

    Article • Chemical Physics, December 1991, Elsevier

    Professor Antonio Rey

  56. Dimensions and intrinsic viscosities of long linear and star chains in good- and Θ-solvent conditions

    Article • Macromolecules, November 1991, American Chemical Society (ACS)

    Professor Antonio Rey

  57. Investigation of the end‐to‐end vector distribution function for linear polymers in different regimes

    Article • The Journal of Chemical Physics, September 1991, American Institute of Physics

    Professor Antonio Rey

  58. Numerical simulation of the cyclization dynamics for flexible chains with excluded volume

    Article • Macromolecules, August 1991, American Chemical Society (ACS)

    Professor Antonio Rey

  59. Translational diffusion, relaxation times, and quasi-elastic scattering of flexible chains with excluded volume and fluctuating hydrodynamic interactions: a Brownian dynamics study

    Article • Macromolecules, August 1991, American Chemical Society (ACS)

    Professor Antonio Rey

  60. The shape of two‐dimensional linear and star polymers with and without excluded volume

    Article • The Journal of Chemical Physics, July 1991, American Institute of Physics

    Professor Antonio Rey

  61. Experimental and theoretical study of the equation of state of trifluoromethane in the near-critical region

    Article • The Journal of Physical Chemistry B, April 1991, American Chemical Society (ACS)

    Professor Antonio Rey

  62. The shape of linear and star polymers with and without excluded volume

    Article • The Journal of Chemical Physics, March 1991, American Institute of Physics

    Professor Antonio Rey

  63. Lower bounds for the intrinsic viscosity of flexible polymers. Comparison with Brownian dynamics simulation results for different types of chains

    Article • Computer Physics Communications, December 1990, Elsevier

    Professor Antonio Rey

  64. Brownian dynamics of nonlinear Gaussian chains with fluctuating hydrodynamic interactions. 2. Rings

    Article • Macromolecules, August 1990, American Chemical Society (ACS)

    Professor Antonio Rey

  65. Brownian dynamics of nonlinear Gaussian chains with fluctuating hydrodynamic interactions. 1. Star chains

    Article • Macromolecules, August 1990, American Chemical Society (ACS)

    Professor Antonio Rey

  66. Frequency‐dependent viscosity of linear, ring, and star Gaussian chains with fluctuating hydrodynamic interactions

    Article • The Journal of Chemical Physics, May 1990, American Institute of Physics

    Professor Antonio Rey

  67. Cyclization dynamics of flexible polymers. Numerical results from Brownian trajectories

    Article • Macromolecules, April 1990, American Chemical Society (ACS)

    Professor Antonio Rey

  68. Crosslinking of poly(allylamine) with esters of diimidic acids in aqueous media

    Article • Die Makromolekulare Chemie Rapid Communications, December 1989, Wiley

    Professor Antonio Rey

  69. Brownian dynamics of a flexible polymer. Internal modes and quaiselastic scattering function

    Article • The Journal of Chemical Physics, February 1989, American Institute of Physics

    Professor Antonio Rey

  70. Monte Carlo calculations for linear chains and star polymers with intramolecular interactions. 4. Dimensions and hydrodynamic properties below the .THETA. state

    Article • Macromolecules, October 1987, American Chemical Society (ACS)

    Professor Antonio Rey

  71. Monte Carlo calculations for linear chains and star polymers with intermolecular interactions. 3. Dimensions and hydrodynamic properties in good solvent conditions

    Article • Macromolecules, March 1987, American Chemical Society (ACS)

    Professor Antonio Rey

  72. Monte Carlo calculations for linear and star polymers with intramolecular interactions. 2. Nonpreaveraged study of hydrodynamic properties at the θ state

    Article • Macromolecules, March 1986, American Chemical Society (ACS)

    Professor Antonio Rey

  73. Monte Carlo calculations for linear and star polymers with intramolecular interactions. 1. Dimensions

    Article • Macromolecules, March 1986, American Chemical Society (ACS)

    Professor Antonio Rey